5-beta-Pregnane-3-alpha,20-alpha,21-triol
TL;DR: 5-beta-Pregnane-3-alpha,20-alpha,21-triol (CAS 2041-77-2) is a chemical compound with molecular formula C21H36O3 and molecular weight 336.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethane-1,2-diol
Also Known As: (3alpha,5beta)-Pregnane-3,20,21-triol, 5-BETA-PREGNANE-3-ALPHA,20-ALPHA,21-TRIOL, 5-BETA-PREGNANE-3-ALPHA,20-BETA,21-TRIOL, 1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethane-1,2-diol, 1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethane-1,2-diol
| Molecular Formula | C21H36O3 |
|---|---|
| Molecular Weight | 336.27 g/mol |
| LogP | 3.3594 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.26645 |
| Heavy Atoms | 24 |
| Complexity | 479.7043 |
Chemical Identifiers
| CAS Number | 2041-77-2 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2CCC4(C3CCC4C(CO)O)C)O |
Product Overview
5-beta-Pregnane-3-alpha,20-alpha,21-triol (CAS 2041-77-2), with molecular formula C21H36O3 and molecular weight 336.27 g/mol. IUPAC: 1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethane-1,2-diol.
Chemical Property Profile of 5-beta-Pregnane-3-alpha,20-alpha,21-triol
Property Insights of 5-beta-Pregnane-3-alpha,20-alpha,21-triol
The XLogP value of 3.3594 indicates that 5-beta-Pregnane-3-alpha,20-alpha,21-triol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-beta-Pregnane-3-alpha,20-alpha,21-triol. Following Lipinski's Rule of Five, 5-beta-Pregnane-3-alpha,20-alpha,21-triol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-beta-Pregnane-3-alpha,20-alpha,21-triol?
The CAS number of 5-beta-Pregnane-3-alpha,20-alpha,21-triol is 2041-77-2.
What is the molecular formula of 5-beta-Pregnane-3-alpha,20-alpha,21-triol?
The molecular formula of 5-beta-Pregnane-3-alpha,20-alpha,21-triol is C21H36O3.
What is the molecular weight of 5-beta-Pregnane-3-alpha,20-alpha,21-triol?
The molecular weight of 5-beta-Pregnane-3-alpha,20-alpha,21-triol is 336.27 g/mol.
Where can I buy 5-beta-Pregnane-3-alpha,20-alpha,21-triol?
You can request a quote for 5-beta-Pregnane-3-alpha,20-alpha,21-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-beta-Pregnane-3-alpha,20-alpha,21-triol?
Yes, KEHONG BIO provides custom synthesis services for 5-beta-Pregnane-3-alpha,20-alpha,21-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.